SCHEMBL5682569

SCHEMBL5682569

CCN1CCN(C2=C(c3ccccc3)C(=O)NC2=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.49
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ APAF1 O14727 1/20 0.43
▸ GSK3B P49841 6/20 0.43
▸ PRKCB P05771 3/20 0.43
▸ PRKCA P17252 3/20 0.43
▸ PRKCG P05129 2/20 0.42
▸ PRKCE Q02156 2/20 0.42
▸ PRKCD Q05655 2/20 0.42
▸ CCNB2 O95067 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ PDGFRB P09619 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ PRKACA P17612 1/20 0.42
▸ PRKACG P22612 1/20 0.42
▸ PRKACB P22694 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5682534 0.84 MAPT (0.47) LMNAGAAMAPTTDP1GSK3B
SCHEMBL5686101 0.82 LMNA (0.49) LMNAGAAMAPTTDP1GSK3B
SCHEMBL5683249 0.80 MAPT (0.46) LMNAGAAMAPTTDP1APAF1
SCHEMBL94149 0.70 GSK3B (0.58) GSK3BPTGS2
SCHEMBL5686110 0.70 GSK3B (0.55) GAAMAPTGSK3BPTGS2SMN1; SMN2
SCHEMBL12319455 0.68 CHRNA7 (0.79) CHRNA7LMNAGAAMAPTSMN1; SMN2
SCHEMBL114611 0.68 PTGS2 (0.67) GSK3BPTGS2
SCHEMBL29190138 0.67 MGLL (0.47) GSK3BCAMK2DPTGS2ALDH1A1
SCHEMBL11096500 0.67 CHRNA7 (0.59) CHRNA7SMN1; SMN2
SCHEMBL1101883 0.67 CHRNA7 (1.00) CHRNA7GAAMAPTSMN1; SMN2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040010031-A1 Novel method and compounds SMITHKLINE BEECHAM P.L.C. 2004-01-15 — — US claimed
EP-1119548-A1 PYRROLE-2,5-DIONES AS GSK-3 INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2001-08-01 — — EP claimed
WO-2000021927-A2 PYRROLE-2,5-DIONES AS GSK-3 INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2000-04-20 — — WO claimed
US-20060252045-A1 Methods and materials for identifying agents which modulate bone remodeling and agents identified thereby WYETH 2006-11-09 — — US disclosed
WO-2005028678-A9 METHODS AND MATERIALS FOR IDENTIFYING AGENTS WHICH MODULATE BONE REMODELING AND AGENTS IDENTIFIED THEREBY WYETH CORP (US) 2006-08-31 — — WO disclosed
EP-1636388-A2 METHODS AND MATERIALS FOR IDENTIFYING AGENTS WHICH MODULATE BONE REMODELING AND AGENTS IDENTIFIED THEREBY Wyeth (US) 2006-03-22 — — EP disclosed
WO-2005028678-A2 METHODS AND MATERIALS FOR IDENTIFYING AGENTS WHICH MODULATE BONE REMODELING AND AGENTS IDENTIFIED THEREBY WYETH (US) 2005-03-31 — — WO disclosed
US-6719520-B2 FOR INHIBITION OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3); TREATMENT AND PROPHYLAXIS FOR DIABETES, CHRONIC NEURODEGENERATIVE CONDITIONS, MOOD DISORDERS SUCH AS SCHIZOPHRENIA AND MANIC DEPRESSION AND HAIR LOSS AND CANCER SMITHKLINE BEECHAM CORPORATION 2004-04-13 — — US disclosed
US-20040010031-A1 Novel method and compounds SMITHKLINE BEECHAM P.L.C. 2004-01-15 — — US disclosed
EP-1119548-A1 PYRROLE-2,5-DIONES AS GSK-3 INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2001-08-01 — — EP disclosed
WO-2000021927-A2 PYRROLE-2,5-DIONES AS GSK-3 INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2000-04-20 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040010031-A1 Novel method and compounds GSK3A, GSK3B, GSKIP CHRNA7 217/4885LMNA 1013/4885GAA 1206/4885
US-20060252045-A1 Methods and materials for identifying agents which modulate bone remodeling and agents identified thereby BMP4, BMP2, BMP6 CHRNA7 4278/4885LMNA 1839/4885GAA 1346/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback